5-(2,4-dimethoxyphenyl)-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(2,4-dimethoxyphenyl)-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Openeye Name: 5-(2,4-dimethoxyphenyl)-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione CAS Name: 5-(2,4-dimethoxyphenyl)-3-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2,4-dimethoxyphenyl)-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Traditional Name: 5-(2,4-dimethoxyphenyl)-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-oxadiazole-2-thione Formula: C19H22N3O3S2+ MolecularWeight: 404.52628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCCC3C4=CC=CS4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NN(C(=S)O2)C[NH+]3CCC[C@@H]3C4=CC=CS4)OC

InChI

InChI=1S/C19H21N3O3S2/c1-23-13-7-8-14(16(11-13)24-2)18-20-22(19(26)25-18)12-21-9-3-5-15(21)17-6-4-10-27-17/h4,6-8,10-11,15H,3,5,9,12H2,1-2H3/p+1/t15-/m1/s1